[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C21H15NO4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C21H15NO4Cl2
Smiles	O=C(C(c1ccccc1)OC(/C=C/c1ccco1)=O)Nc1cc(Cl)cc(Cl)c1
InChI	InChI=1S/C21H15Cl2NO4/c22-15-11-16(23)13-17(12-15)24-21(26)20(14-5-2-1-3-6-14)28-19(25)9-8-18-7-4-10-27-18/h1-13,20H,(H,24,26)/t20-/m1/s1
InChIK	BAQVXKLARCPWIC-HXUWFJFHSA-N
TotalMolweight	416.259
Molweight	416.259
MonoisotopicMass	415.037813
CLogP	4.3934
CLogS	-5.649
H Acceptors	5
H Donors	1
TotalSurfaceArea	309.27
Relative PSA	0.19934
PolarSurfaceArea	68.54
Druglikeness	0.34279
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	5
Amides	1
StereoCon	racemate

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